5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol

C23H28N2O3 — CID 91568419

IUPAC5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4oc(C)c(O)c4c3C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-14-15(2)23-20(22(26)17(4)28-23)16(3)21(14)25-12-10-24(11-13-25)18-6-8-19(27-5)9-7-18/h6-9,26H,10-13H2,1-5H3
InChIKeyLSBZTMOBQSPSBZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.71
Rot. Bonds3

About 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol

5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol (PubChem CID 91568419) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol
PubChem CID91568419
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4oc(C)c(O)c4c3C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-14-15(2)23-20(22(26)17(4)28-23)16(3)21(14)25-12-10-24(11-13-25)18-6-8-19(27-5)9-7-18/h6-9,26H,10-13H2,1-5H3
InChIKeyLSBZTMOBQSPSBZ-UHFFFAOYSA-N
XLogP4.71
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl] acetate
CID 91565409
1-[3-methoxy-2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-1-benzofuran-5-yl]-4-(4-methoxyphenyl)piperazine
CID 10163989
5-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3-one
CID 66760383
7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one
CID 66760929
1-(4-methoxyphenyl)piperidine
CID 10130315
2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol
CID 82107926
(4,5-dimethyl-1,2-oxazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856418
(2-hydroxy-3-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanethione
CID 135715508
1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 3717638
1-(4-methoxyphenyl)-4-[2,4,6,7-tetramethyl-2-(pyrrolidin-1-ylmethyl)-3H-1-benzofuran-5-yl]piperazine
CID 59485089
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol
CID 10142866
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol (CID 91568419) is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol is COc1ccc(N2CCN(c3c(C)c(C)c4oc(C)c(O)c4c3C)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol?
The InChIKey is LSBZTMOBQSPSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-14-15(2)23-20(22(26)17(4)28-23)16(3)21(14)25-12-10-24(11-13-25)18-6-8-19(27-5)9-7-18/h6-9,26H,10-13H2,1-5H3.
What are the key properties of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol?
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol has a molecular weight of 380.49 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-1-benzofuran-3-ol is sourced from PubChem (CID 91568419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).